Information card for entry 7052403

Structure parameters

• Common name: Complex 5
• Formula: C22 H16 Cu N10 O6
• Calculated formula: C22 H16 Cu N10 O6
• SMILES: [Cu]12([n]3c(c4ccccn4n3)c3ccccn13)([n]1c(c3ccccn3n1)c1ccccn21)(ON(=O)=O)ON(=O)=O
• Title of publication: An investigation of the coordination chemistry of the hexadentate ligand di-2-pyridylketone azine; the formation of a discrete tetranuclear complex with silver nitrate
• Authors of publication: Sumby, Christopher J.; Steel, Peter J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1077
• a: 7.03 ± 0.003 Å
• b: 9.039 ± 0.004 Å
• c: 9.806 ± 0.004 Å
• α: 76.783 ± 0.006°
• β: 75.962 ± 0.006°
• γ: 68.6 ± 0.006°
• Cell volume: 556 ± 0.4 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No